SCHEMBL27958134

SCHEMBL27958134

Cc1c2ccc(N(C(N)=O)c3ccc([N+](=O)[O-])cc3Cl)cc2nn1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ NPC1 O15118 4/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ MAPT P10636 4/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ LMNA P02545 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HDAC9 Q9UKV0 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27958142 0.84 LIMK1 (0.37) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL28811090 0.82 KDR (0.41) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL27958135 0.79 KDR (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27958138 0.77 KDR (0.38) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL28099900 0.76 KMT2A (0.51) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL588588 0.75 MAPT (0.53) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL27958168 0.75 HDAC1 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27958145 0.75 KDR (0.41) POLBHDAC3HDAC4HDAC1HDAC7
SCHEMBL28099896 0.74 KMT2A (0.51) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL27958167 0.73 KDR (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103739550-A 2, 3-dimethyl-6-urea-2H-indazole compound and preparation method and application thereof UNIV CHINA PHARMA 2014-04-23 — — CN disclosed
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